Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.9455    0.7630   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4089    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494   -0.4964   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3596   -0.9021   -1.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4925   -0.9039   -0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0880   -0.5119    0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7496    0.4454    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    0.2859   -1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488    1.8827   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440    1.3182    0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595   -0.0391    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226   -1.5573   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168    0.1438    1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0898   -0.8372    1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers